(E)-1-chloro-5-methoxy-3-methylpent-2-ene

C7H13ClO — CID 13181461

IUPAC(E)-1-chloro-5-methoxy-3-methylpent-2-ene
SMILESCOCC/C(C)=C/CCl
InChIInChI=1S/C7H13ClO/c1-7(3-5-8)4-6-9-2/h3H,4-6H2,1-2H3/b7-3+
InChIKeyHNKPSFYAUSZCOO-XVNBXDOJSA-N
MW148.63 g/mol
LogP2.21
Rot. Bonds4

About (E)-1-chloro-5-methoxy-3-methylpent-2-ene

(E)-1-chloro-5-methoxy-3-methylpent-2-ene (PubChem CID 13181461) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is (E)-1-chloro-5-methoxy-3-methylpent-2-ene.

Molecular Properties

Compound Name(E)-1-chloro-5-methoxy-3-methylpent-2-ene
PubChem CID13181461
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name(E)-1-chloro-5-methoxy-3-methylpent-2-ene
SMILESCOCC/C(C)=C/CCl
InChIInChI=1S/C7H13ClO/c1-7(3-5-8)4-6-9-2/h3H,4-6H2,1-2H3/b7-3+
InChIKeyHNKPSFYAUSZCOO-XVNBXDOJSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,5-dimethoxy-3-methylpent-2-ene
CID 146216379
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(E)-4-methoxy-N,2-dimethylbut-1-en-1-amine
CID 174271383
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780
4-chloro-2-methylbut-2-en-1-ol
CID 71386874
(E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene
CID 13181464
(E)-4-chloro-1-dichlorophosphoryl-2-methylbut-2-ene
CID 12540868
(2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene
CID 88656729
6-methoxy-2-methylhex-2-ene
CID 59087760
1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene
CID 88634605
(2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene
CID 58792351
12-chloro-2,6,10-trimethyldodeca-2,6,9-triene
CID 176889443

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-5-methoxy-3-methylpent-2-ene?
The IUPAC name of (E)-1-chloro-5-methoxy-3-methylpent-2-ene (CID 13181461) is (E)-1-chloro-5-methoxy-3-methylpent-2-ene.
What is the SMILES notation for (E)-1-chloro-5-methoxy-3-methylpent-2-ene?
The canonical SMILES for (E)-1-chloro-5-methoxy-3-methylpent-2-ene is COCC/C(C)=C/CCl.
What is the InChIKey of (E)-1-chloro-5-methoxy-3-methylpent-2-ene?
The InChIKey is HNKPSFYAUSZCOO-XVNBXDOJSA-N. The full InChI is InChI=1S/C7H13ClO/c1-7(3-5-8)4-6-9-2/h3H,4-6H2,1-2H3/b7-3+.
What are the key properties of (E)-1-chloro-5-methoxy-3-methylpent-2-ene?
(E)-1-chloro-5-methoxy-3-methylpent-2-ene has a molecular weight of 148.63 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-5-methoxy-3-methylpent-2-ene is sourced from PubChem (CID 13181461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).